(E)-3-(4-bromophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
Formula:C21H16NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-(4-phenoxyphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-(4-phenoxyphenyl)prop-2-enamide |
| MolecularFormula | C21H16NO2Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C21H16BrNO2/c22-17-9-6-16(7-10-17)8-15-21(24)23-18-11-13-20(14-12-18)25-19-4-2-1-3-5-19/h1-15H,(H,23,24) |
| InChIK | WGQUXKOFEPWBDY-UHFFFAOYSA-N |
| TotalMolweight | 394.267 |
| Molweight | 394.267 |
| MonoisotopicMass | 393.03644 |
| CLogP | 5.2571 |
| CLogS | -6.629 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 277.12 |
| Relative PSA | 0.12449 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -2.2442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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